SCHEMBL17523660

SCHEMBL17523660

O=C(NCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 11/20 0.53
▸ ESR1 P03372 10/20 0.53
▸ PSMB1 P20618 5/20 0.52
▸ PSMB5 P28074 4/20 0.52
▸ PSMB2 P49721 2/20 0.52
▸ ESRRB O95718 1/20 0.49
▸ CYP19A1 P11511 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ESR2 Q92731 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17523658 1.00 ESRRG (0.53) ESRRGESR1PSMB1PSMB5PSMB2
SCHEMBL19201125 0.93 ESRRG (0.48) ESRRGESR1PSMB1PSMB5PSMB2
SCHEMBL17523651 0.88 ESR1 (0.60) ESRRGESR1PSMB1PSMB5ESRRB
SCHEMBL17523646 0.88 ESR1 (0.60) ESRRGESR1PSMB1PSMB5ESRRB
SCHEMBL17506009 0.86 SMN1; SMN2 (0.54) PSMB1PSMB5PSMB2ESRRBHPGD
SCHEMBL19181028 0.86 SMN1; SMN2 (0.54) PSMB1PSMB5PSMB2ESRRBHPGD
SCHEMBL17506001 0.86 SMN1; SMN2 (0.54) PSMB1PSMB5PSMB2ESRRBHPGD
SCHEMBL19181332 0.86 SMN1; SMN2 (0.54) PSMB1PSMB5PSMB2ESRRBHPGD
SCHEMBL17506003 0.84 GAA (0.57) ESRRGESR1ESRRBCYP19A1GAA
SCHEMBL17523633 0.80 ESRRB (0.53) ESRRGESR1ESRRBCYP19A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same THE PENN STATE RESEARCH FOUNDATION 2017-08-03 — — US disclosed
WO-2016022325-A1 NOVEL TRIARYLETHYLENE COMPOUNDS AND METHODS USING SAME THE PENN STATE RESEARCH FOUNDATION (US) 2016-02-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170217914-A1 Novel Triarylethylene Compounds and Methods Using Same CYP46A1, GSTA2, GSTA1 ESRRG 1048/4885ESR1 1247/4885PSMB1 3880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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